1-(1-Methylethyl)naphthalene

HCID 22535

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Basic information

CAS: 29253-36-9
Standard SMILES: CC(C)c1cccc2ccccc12
InChIKey: PMPBFICDXLLSRM-UHFFFAOYSA-N
Molecular formula: C13H14
Average molar mass: 170.25 g/mol
Monoisotopic mass: 170.10955045

Names & identifiers

Preferred name: 1-(1-Methylethyl)naphthalene
IUPAC: 1-propan-2-ylnaphthalene
English name: 1-/2-Isopropylnaphthalene, mixture of isomeres speciality chemicals
Molecular formula: C13H14
Molecular weight: 170.25026

Names & synonyms

1-ISOPROPYLNAPHTHALENE6158-45-8Naphthalene, 1-(1-methylethyl)-WIH259CGZ2NSC-141329DTXSID708654811-(1-Methylethyl)naphthaleneRefChem:433379DTXCID90813883228-177-11-propan-2-ylnaphthaleneISOPROPYLNAPHTHALENE

Show more names

KSK-OIL 260methylethylnaphthalene1-/2-Isopropylnaphthalene, mixture of isomeres speciality chemicals

Naphthalene, 1-isopropyl-.alpha.-Isopropylnaphthalene1-(propan-2-yl)naphthaleneNaphthalene, (1-methylethyl)-alpha-Isopropylnaphthalene29253-36-91-isopropyl-naphthaleneMFCD00061059

Database identifiers

CAS: 29253-36-9、6158-45-8
PubChem CID: 22535
DTXSID: DTXSID70865481
UNII: WIH259CGZ2
EC Number: 228-177-1、249-535-3
Nikkaji: J211.424K

Properties

Computed structural properties

XLogP: 4.6
Topological polar surface area: 0 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 0
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 159

Experimental & physicochemical properties

SpringerMaterials Properties13C nuclear magnetic resonance spectrum

Physicochemical properties

Boiling point: 260 · 260-290 °C
Density: 0.981 · 0.981[at 20℃]
vapor pressure: 2.429 Pa · 2.429Pa at 25℃
Viscosity: 4.5 mm2/s · 4.5mm2/s
Water Solubility: 2.81 mg/L · 2.81mg/L at 25℃
LogP: 4.63 at · 4.63 at 20℃
EPA Substance Registry System: Isopropylnaphthalene (29253-36-9)
Symbol(GHS): 8 · GHS08,GHS09
Signal word: Danger
Hazard statements: 411 · H411-H304-H400
Precautionary statements: 273 · P273-P391-P501
TSCA: TSCA listed
REACH Registrations: Inactive

Safety & regulation

GHS classification

GHS Classification · 6 items

This chemical does not meet GHS hazard criteria for 4.2% (1 of 24) of reports.

Danger

H304 (95.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P273, P301+P316, P331, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 24 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger